Compound Identification
SMILES
CCC(=O)OCCS(=O)(=O)C1=CC(N2NC(=O)C(N=NC3=C(C=C(OC)C=C3)[N+]([O-])=O)C2C)=C(OC)C=C1
InChIKey
InChIKey=ILPRZRUGQLMRDZ-UHFFFAOYSA-N
Formula
C23H27N5O9S
Mass
549.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Nitrobenzenes
- Level 5 Nitrophenyl ethers
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Subclass
Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenyl ethers
Alternative Parents
Alpha amino acids and derivatives Benzenesulfonyl compounds Methoxyanilines Anisoles Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Pyrazolidinones Sulfones Carboxylic acid hydrazides Carboxylic acid esters Azo compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Alpha-amino acid or derivatives - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrazolidinone - Pyrazolidine - Sulfone - Sulfonyl - Organic nitro compound - Azo compound - Carboxylic acid ester - Carboxylic acid hydrazide - C-nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Carbonyl group - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available